Dimethyl 4-amino-3-nitrobenzene-1,2-dioate - CAS 52412-59-6
Catalog: |
BB067398 |
Product Name: |
Dimethyl 4-amino-3-nitrobenzene-1,2-dioate |
CAS: |
52412-59-6 |
Synonyms: |
dimethyl 4-amino-3-nitrobenzene-1,2-dioate; DIMETHYL 4-AMINO-3-NITROPHTHALATE; dimethyl 4-amino-3-nitrobenzene-1,2-dicarboxylate |
IUPAC Name: | dimethyl 4-amino-3-nitrobenzene-1,2-dicarboxylate |
Description: | Dimethyl 4-amino-3-nitrobenzene-1,2-dioate |
Molecular Weight: | 254.2 |
Molecular Formula: | C10H10N2O6 |
Canonical SMILES: | COC(=O)C1=C(C(=C(C=C1)N)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C10H10N2O6/c1-17-9(13)5-3-4-6(11)8(12(15)16)7(5)10(14)18-2/h3-4H,11H2,1-2H3 |
InChI Key: | VMCZLGPQSKPJTH-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.05388604 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.05388604 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 124Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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